element(s):
['Ta']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2656']
model name:
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:33:37        0.505068         0.095905
BFGS:    1 15:33:37        0.504697         0.084610
BFGS:    2 15:33:37        0.503384         0.000901
BFGS:    3 15:33:37        0.503384         0.000008
BFGS:    4 15:33:37        0.503384         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.028443044963442e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.84437983e-38]]
cellpar =  Cell([[4.253075957425713, -4.14597582823673e-37, -1.0216447227989196e-34], [2.298660634204462e-40, 4.253075957425713, -5.9069198383899565e-21], [-1.5367811193993485e-32, -5.9069198383740164e-21, 4.253075957425713]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.02844304e-11  3.02844304e-11  3.02844304e-11 -4.25697860e-31
 -6.83098669e-59  1.83538796e-64]
energy per atom =  -7.917478380368382
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0